3-azanyl-2-methyl-5-nitro-benzenesulfonic acid

Systemtic Name: 3-azanyl-2-methyl-5-nitro-benzenesulfonic acid Openeye Name: 3-amino-2-methyl-5-nitro-benzenesulfonic acid CAS Name: 3-amino-2-methyl-5-nitrobenzenesulfonic acid IUPAC Name: 3-amino-2-methyl-5-nitrobenzenesulfonic acid Traditional Name: 3-amino-2-methyl-5-nitro-besylic acid Formula: C7H8N2O5S MolecularWeight: 232.21382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1N)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C7H8N2O5S/c1-4-6(8)2-5(9(10)11)3-7(4)15(12,13)14/h2-3H,8H2,1H3,(H,12,13,14)